Geometry & MOs

Info

ID:	140637
PubChem CID:	52734242
Reduced:	OSCl2N5C17H19 (1)
Stoich.:	ABC2D5E17F19 (1)
Weight, g/mol:	422.243024
ΔH_f, kcal/mol:	56.72
Dipole, Da:	5.03
IP(EA), eV:	-9.06(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)CSC2=NN=C(N2CC(C)C)C3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations